N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide

C16H17N3O3 — CID 2218197

IUPACN'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O3/c1-11-3-4-14(22-2)13(9-11)19-16(21)15(20)18-10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXLBRWUHEOKROAV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.65
Rot. Bonds4

About N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 2218197) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID2218197
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O3/c1-11-3-4-14(22-2)13(9-11)19-16(21)15(20)18-10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXLBRWUHEOKROAV-UHFFFAOYSA-N
XLogP1.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 2218197) is N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCc1ccncc1.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is XLBRWUHEOKROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-3-4-14(22-2)13(9-11)19-16(21)15(20)18-10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 299.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 2218197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).